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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/67/1526703.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1526703
loop_
_publ_author_name
'Stus', N.V.'
'Lisnyak, V.V.'
'Slobodyanik, N.S.'
_publ_section_title
;
 Crystal structure of a new monophosphate tungsten(V) bronze with
 hexagonal tunnels Na4 (W O3)8 (P O2)4
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              73
_journal_page_last               77
_journal_volume                  325
_journal_year                    2001
_chemical_formula_sum            'Na O8 P W2'
_chemical_name_systematic        'Na ((W O3)2 (P O2))'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.5898
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.6065
_cell_length_b                   5.2711
_cell_length_c                   8.8898
_cell_volume                     305.248
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Stus_JALCEU_2001_1315.cif
_cod_data_source_block           Na1O8P1W2
_cod_original_cell_volume        305.2481
_cod_original_formula_sum        'Na1 O8 P1 W2'
_cod_database_code               1526703
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
P1 P+5 0.2142 0.25 0.6282 1 0.0
W2 W+5 0.64024 0.25 0.91213 1 0.0
O2 O-2 0.8609 0.25 0.0802 1 0.0
O6 O-2 0.5 0 0 1 0.0
W1 W+5 0.06016 0.25 0.24937 1 0.0
O5 O-2 0.4289 0.25 0.7202 1 0.0
Na1 Na+1 0.645 0.25 0.525 1 0.0
O3 O-2 0.2118 0.0018 0.1873 1 0.0
O1 O-2 0.2434 0.25 0.4587 1 0.0
O4 O-2 0.896 -0.01 0.3422 1 0.0
